4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid

C14H13ClN2O3S — CID 61475728

IUPAC4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
SMILESO=C(NCCc1ccsc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H13ClN2O3S/c15-10-1-2-11(13(18)19)12(7-10)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyWZKLJTYUPQEQQW-UHFFFAOYSA-N
MW324.79 g/mol
LogP3.46
Rot. Bonds5

About 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid

4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid (PubChem CID 61475728) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
PubChem CID61475728
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC Name4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
SMILESO=C(NCCc1ccsc1)Nc1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H13ClN2O3S/c15-10-1-2-11(13(18)19)12(7-10)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20)
InChIKeyWZKLJTYUPQEQQW-UHFFFAOYSA-N
XLogP3.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244723
4-chloro-3-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 61475929
4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026
4-chloro-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]benzoic acid
CID 63240493
2-bromo-5-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid
CID 115296801
4-bromo-2-(thiophen-3-ylmethylcarbamoylamino)benzoic acid
CID 63244279
4-chloro-2-(thiophen-2-ylmethylcarbamoylamino)benzoic acid
CID 61195227
4-chloro-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]benzoic acid
CID 106382906
5-(2-thiophen-3-ylethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158090
4-chloro-2-(3-propoxypropylcarbamoylamino)benzoic acid
CID 82942351
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
1-[3-[4-chloro-2-[(5-cyano-2-pyridinyl)carbamoylamino]phenoxy]propyl]-3-(2-thiophen-3-ylethyl)urea
CID 11409406

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The IUPAC name of 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid (CID 61475728) is 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid is O=C(NCCc1ccsc1)Nc1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
The InChIKey is WZKLJTYUPQEQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c15-10-1-2-11(13(18)19)12(7-10)17-14(20)16-5-3-9-4-6-21-8-9/h1-2,4,6-8H,3,5H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid?
4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid has a molecular weight of 324.79 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-thiophen-3-ylethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61475728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).